Binding Site Information of Target
Target General Information | Top | ||||
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Target ID | T15439 | Target Info | |||
Target Name | C5a anaphylatoxin chemotactic receptor (C5AR1) | ||||
Synonyms | CD88; C5aR; C5a-R; C5a anaphylatoxin chemotactic receptor 1; C5R1 | ||||
Target Type | Successful Target | ||||
Gene Name | C5AR1 | ||||
Biochemical Class | GPCR rhodopsin | ||||
UniProt ID |
Drug Binding Sites of Target | Top | |||||
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Ligand Name: Oleic acid | Ligand Info | |||||
Structure Description | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | PDB:5O9H | ||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [1] |
PDB Sequence |
NTLRVPDILA
40 LVIFAVVFLV50 GVLGNALVVW60 VTAFEAKRTI70 NAIWFLNLAV80 ADFLACLALP 90 ALFTSIVQHH100 HWPFGGAACS110 ILPSLILLNM120 YASILLLATI130 SADRFLLVFK 140 PAWCQRFRGA150 GLAWILCAVA160 WGLALLLTIP170 SALYRVVREE180 YFPPKVLCGV 190 DHDKRRERAV202 AIVRLVLGFL212 WPLLTLTICY222 TFILLRTWSA232 RETRSTKTLK 242 VVVAVVASFF252 IFWLPYQVTG262 IMMSFLEPSS272 PTFLLLKKLD282 SLCVSFAYIN 292 CCINPIIYVV302 AGQGFQKSLP316 ELLREVLTEE326 SVVR
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ILE38
4.658
LEU41
4.193
VAL42
3.500
ALA45
4.358
VAL46
3.765
ALA63
3.626
ALA66
4.314
LYS67
4.796
ILE70
4.738
TRP74
3.802
LEU76
4.650
VAL80
4.015
LEU84
4.147
PRO90
3.746
PHE93
4.005
THR94
3.669
VAL97
4.120
GLN98
2.343
ALA128
4.330
THR129
4.271
SER131
4.539
ALA132
3.486
ASP133
3.940
PHE135
3.279
LEU136
3.779
PHE139
3.950
LYS140
3.556
TRP143
3.460
PHE147
4.480
ARG148
3.846
GLY149
3.792
GLY151
3.887
LEU152
3.912
ALA153
3.953
TRP154
4.023
ILE155
4.367
LEU156
3.930
ALA158
3.583
VAL159
3.923
GLY162
3.423
LEU163
3.950
LEU166
4.739
ALA201
4.089
ILE204
3.987
VAL205
4.667
LEU207
3.867
VAL208
4.605
PHE211
4.253
LEU212
3.880
TRP213
4.649
LEU215
3.988
LEU216
3.423
THR217
3.864
LEU218
3.435
THR219
3.831
ILE220
3.488
CYS221
4.012
TYR222
4.012
THR223
3.617
PHE224
3.242
LEU226
3.681
LEU227
3.695
ARG228
3.659
THR229
4.915
TRP230
3.149
SER231
3.389
LYS242
3.413
VAL245
3.672
ALA246
3.727
VAL248
4.010
ALA249
3.905
SER250
3.800
PHE252
3.688
ILE253
3.416
PHE254
4.112
LEU256
4.490
VAL260
3.870
ILE263
4.087
MET264
3.929
ILE291
3.907
CYS294
4.301
ILE295
3.550
ILE298
4.072
ILE299
3.988
VAL302
3.817
ALA303
4.363
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Ligand Name: n,n-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1h-imidazole-5-methanamine | Ligand Info | |||||
Structure Description | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | PDB:5O9H | ||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [1] |
PDB Sequence |
NTLRVPDILA
40 LVIFAVVFLV50 GVLGNALVVW60 VTAFEAKRTI70 NAIWFLNLAV80 ADFLACLALP 90 ALFTSIVQHH100 HWPFGGAACS110 ILPSLILLNM120 YASILLLATI130 SADRFLLVFK 140 PAWCQRFRGA150 GLAWILCAVA160 WGLALLLTIP170 SALYRVVREE180 YFPPKVLCGV 190 DHDKRRERAV202 AIVRLVLGFL212 WPLLTLTICY222 TFILLRTWSA232 RETRSTKTLK 242 VVVAVVASFF252 IFWLPYQVTG262 IMMSFLEPSS272 PTFLLLKKLD282 SLCVSFAYIN 292 CCINPIIYVV302 AGQGFQKSLP316 ELLREVLTEE326 SVVR
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References | Top | ||||
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REF 1 | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature. 2018 Jan 3;553(7686):111-114. |
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